N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-(2-nitrophenyl)-N-(phenylmethyl)ethanamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-(2-nitrophenyl)-N-(phenylmethyl)ethanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-benzyl-2-(2-nitrophenyl)acetamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-2-(2-nitrophenyl)-N-(phenylmethyl)acetamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-(2-nitrophenyl)acetamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-benzyl-2-(2-nitrophenyl)acetamide Formula: C23H25N5O5 MolecularWeight: 451.4751

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)C(=O)CC3=CC=CC=C3[N+](=O)[O-])N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)C(=O)CC3=CC=CC=C3[N+](=O)[O-])N

InChI

InChI=1S/C23H25N5O5/c1-2-3-13-26-21(24)20(22(30)25-23(26)31)27(15-16-9-5-4-6-10-16)19(29)14-17-11-7-8-12-18(17)28(32)33/h4-12H,2-3,13-15,24H2,1H3,(H,25,30,31)